benzyl N-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamate

• ChemBase ID: 802500
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: N(C(=O)OCc1ccccc1)[C@@H](C(=O)c1ccccc1)C
• Canonical SMILES: O=C(N[C@@H](C(=O)c1ccccc1)C)OCc1ccccc1
• InChI: InChI=1S/C17H17NO3/c1-13(16(19)15-10-6-3-7-11-15)18-17(20)21-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m1/s1
• InChIKey: IBQLNUCDRMSSBJ-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamate
• IUPAC Traditional name: benzyl N-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamate
• Synonyms: BENZYL [(1R)-1-METHYL-2-OXO-2-PHENYLETHYL]CARBAMATE

CALCULATED PROPERTIES

• Acid pKa: 13.509255
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3381386
• LogD (pH = 7.4): 3.3381383
• Log P: 3.3381386
• Molar Refractivity: 79.9944 cm^3
• Polarizability: 31.075857 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%